CID 3059089

Brn 5608352

Structural Information

Molecular Formula
C17H14N2O3
SMILES
C1C2COC(O2)(C3=NC4=CC=CC=C4N31)C5=CC=CC=C5O
InChI
InChI=1S/C17H14N2O3/c20-15-8-4-1-5-12(15)17-16-18-13-6-2-3-7-14(13)19(16)9-11(22-17)10-21-17/h1-8,11,20H,9-10H2
InChIKey
HZWBAPHNASVMHU-UHFFFAOYSA-N
Compound name
2-(14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraen-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.10043 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 164.4
[M+Na]+ 317.08965 179.4
[M+NH4]+ 312.13425 175.3
[M+K]+ 333.06359 174.3
[M-H]- 293.09315 170.1
[M+Na-2H]- 315.07510 169.4
[M]+ 294.09988 168.5
[M]- 294.10098 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.